N-methyl-4-[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]thiolan-3-amine

C11H15N5OS — CID 83200574

IUPACN-methyl-4-[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]thiolan-3-amine
SMILESCNC1CSCC1c1nc(-c2cnn(C)c2)no1
InChIInChI=1S/C11H15N5OS/c1-12-9-6-18-5-8(9)11-14-10(15-17-11)7-3-13-16(2)4-7/h3-4,8-9,12H,5-6H2,1-2H3
InChIKeyWWGFJDNPOPNHMC-UHFFFAOYSA-N
MW265.34 g/mol
LogP0.89
Rot. Bonds3

About N-methyl-4-[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]thiolan-3-amine

N-methyl-4-[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]thiolan-3-amine (PubChem CID 83200574) has the molecular formula C11H15N5OS and a molecular weight of 265.34 g/mol. Its IUPAC name is N-methyl-4-[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]thiolan-3-amine.

Molecular Properties

Compound NameN-methyl-4-[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]thiolan-3-amine
PubChem CID83200574
Molecular FormulaC11H15N5OS
Molecular Weight265.34 g/mol
Exact Mass265.10
IUPAC NameN-methyl-4-[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]thiolan-3-amine
SMILESCNC1CSCC1c1nc(-c2cnn(C)c2)no1
InChIInChI=1S/C11H15N5OS/c1-12-9-6-18-5-8(9)11-14-10(15-17-11)7-3-13-16(2)4-7/h3-4,8-9,12H,5-6H2,1-2H3
InChIKeyWWGFJDNPOPNHMC-UHFFFAOYSA-N
XLogP0.89
TPSA68.77 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.34
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]thiolan-3-amine?
The IUPAC name of N-methyl-4-[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]thiolan-3-amine (CID 83200574) is N-methyl-4-[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]thiolan-3-amine.
What is the SMILES notation for N-methyl-4-[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]thiolan-3-amine?
The canonical SMILES for N-methyl-4-[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]thiolan-3-amine is CNC1CSCC1c1nc(-c2cnn(C)c2)no1.
What is the InChIKey of N-methyl-4-[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]thiolan-3-amine?
The InChIKey is WWGFJDNPOPNHMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5OS/c1-12-9-6-18-5-8(9)11-14-10(15-17-11)7-3-13-16(2)4-7/h3-4,8-9,12H,5-6H2,1-2H3.
What are the key properties of N-methyl-4-[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]thiolan-3-amine?
N-methyl-4-[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]thiolan-3-amine has a molecular weight of 265.34 g/mol, XLogP of 0.89, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]thiolan-3-amine is sourced from PubChem (CID 83200574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).